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BDBM50332446 8-(4-cyclohexylbenzoyl)-3-(2-oxo-2-(piperidin-1-yl)ethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one::CHEMBL1632074

SMILES: O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O)N1CCCCC1

InChI Key: InChIKey=VQMYRLKREOVONL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332446   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Niemann-Pick C1-like protein 1


(Homo sapiens)
BDBM50332446
PNG
(8-(4-cyclohexylbenzoyl)-3-(2-oxo-2-(piperidin-1-yl...)
Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O)N1CCCCC1
Show InChI InChI=1S/C33H42N4O3/c38-30(34-20-8-3-9-21-34)24-36-25-37(29-12-6-2-7-13-29)33(32(36)40)18-22-35(23-19-33)31(39)28-16-14-27(15-17-28)26-10-4-1-5-11-26/h2,6-7,12-17,26H,1,3-5,8-11,18-25H2
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MMDB

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Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...


Bioorg Med Chem Lett 20: 6929-32 (2010)

More data for this
Ligand-Target Pair